Chemical Compound

DOTA-[Tyr3]-Octreotide Acid

CAS Registry Number 177943-89-4
DOTA-[Tyr3]-Octreotide Acid chemical structure
Primary Record

DOTA-[Tyr3]-Octreotide Acid

In stock
7,699 g
Purity
99.3 %
CAS
177943-89-4

Compound Identifiers & Properties

CAS
177943-89-4
PubChem CID
163304462
SMILES
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(C(C)O)C(=O)O)O.CC(=O)O
Canonical SMILES
CC(=O)O.CC(O)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1)C(=O)O

Names & Synonyms

  • DOTA-[Tyr3]-Octreotide Acid
  • DOTA-(Tyr3)-Octreotate acetate salt
  • B0001-192699
  • 177943-89-4